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agust,www,...january09/PPT-040309ak.ppt Model used on 1)“New system data” (g 3 + (1) <- X 1 + ) vs V,v´=9 2) f3D1 <-<-X vs Vv´=9 W 12 (W 12 ´) max based on shift analysis and from intensity ratio analysis
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Compaired to before “New” Model: “Old” Model:
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W12(6)5.48 DE36.5 DE034.81563 DE-DE01.684366 (DE-DE0)/20.842183 (DE-DE0)max2 W125.958188 W12 ca6W12´*sqrt(J´*(J´+1)) W12´0.919368J´=6W12´= W12/(sqrt(J´(J´+1))) J´6 Agust,heima,....january09/Term values for triplet paper-040309kmak.xls g 3 + (1)
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gamma0.003742 alfa =0.6005 beta=1 W12´=1 n0.5 shift, de0 f1 abs(35)0.009398 exp calc agust,heima,....january09/Model calc-040309ak.xls J´ I( 35 Cl + )/I(H 35 Cl + ) g 3 + (1)
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agust,heima,....january09/Model calc-040309ak.xls I( 35 Cl + )/I(H 35 Cl + ) J´ Exp.Calc. g 3 + (1)
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agust,heima,....january09/Model calc-040309ak.xls J´ 35Cl+/ H35Cl+ exp 10.00226 20.002431 30.00607 40.003152 50.002951 60.022458 70.00657 80.00508 ratio calc- new Calc. 0.00225994 0.002293199 0.002372646 0.002594997 0.003542073 0.022475085 0.010967603 Delta E observed 305.5 279.5 239.6 185.9 118.2 36.5 63 g 3 + (1)
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(DE- DE0)max1 W124.242641 W12 ca4W12´*sqrt(J´*(J´+1)) W12´0.654654J´=6W12´= W12/(sqrt(J´(J´+1))) J´6 f31f31
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agust,heima,....january09/Model calc-040309ak.xls gamma0.0023 alfa =0.51 beta=1 W12´=0.65 n0.5 shift, de0 f1 abs(35)0.00447796 f31f31 I( 35 Cl + )/I(H 35 Cl + ) J´ Exp.Calc.
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agust,heima,....january09/Model calc-040309ak.xls J´ 35Cl+/H3 5Cl+ exp 30.001643 40.001321 50.001402 60.01149 70.007303 80.000379 Delta E observed -236 -182.13 -113.671 -30.1946 71.51355 ratio calc-new calc 0.001219 0.001303 0.001674 0.011506 0.003555 f31f31
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